methyl 2-[[4-ethyl-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-ethyl-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-ethyl-5-[4-(1-piperidylsulfonyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-[4-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-ethyl-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(4-piperidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C18H24N4O4S2 MolecularWeight: 424.53756

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H24N4O4S2/c1-3-22-17(19-20-18(22)27-13-16(23)26-2)14-7-9-15(10-8-14)28(24,25)21-11-5-4-6-12-21/h7-10H,3-6,11-13H2,1-2H3